SCHEMBL4463770

SCHEMBL4463770

C1=CC2(c3ccc(-c4ccncc4)nc3)CCN(C1)C2

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.34
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
CHEK1 O14757 1/20 0.30
GSK3B P49841 1/20 0.30
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4463819 0.89 HSD11B1 (0.38) CYP11B1CYP11B2
Bromide SCHEMBL4466117 0.88 HSD11B1 (0.37) CYP11B1CYP11B2
SCHEMBL4483243 0.87 CYP2A6 (0.41) ALOX5APCYP11B1CYP11B2GSK3B
SCHEMBL4475112 0.86 CHRNA7 (0.37) ALOX5APROCK1
SCHEMBL4470449 0.86 SLC6A2 (0.38)
SCHEMBL4475930 0.84 HRH4 (0.37) CYP11B1CYP11B2
SCHEMBL4463735 0.83 RXFP1 (0.39) CYP11B1
SCHEMBL4461401 0.83 ALOX5AP (0.31) ALOX5AP
SCHEMBL5220760 0.83 CYP11B1 (0.36) ALOX5APCYP11B1CYP11B2
Bromide SCHEMBL4479130 0.82 CYP11B1 (0.35) CYP11B1CYP11B2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585974-B2 Derivatives of 5-(pyridin-3-yl)-1-azabicyclo[3.2.1]octane, their preparation and their therapeutic application SANOFI-AVENTIS (FR) 2009-09-08 US claimed
US-20070185137-A1 Derivatives of 5-(pyridin-3-yl)-1-azabicyclo[3.2.1]octane, their preparation and their therapeutic application SANOFI-AVENTIS (FR) 2007-08-09 US claimed
EP-1465893-B1 DERIVATIVES OF 5-(PYRIDIN-3-YL)-1-AZABICYCLO (3.2.1) OCTANE, THE PREPARATION THEREOF AND THE APPLICATION OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2007-02-28 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070185137-A1 Derivatives of 5-(pyridin-3-yl)-1-azabicyclo[3.2.1]octane, their preparation and their therapeutic application PAICS, CYC1, AADAC ALOX5AP 644/4885CYP11B1 136/4885CYP11B2 119/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.